N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride

C18H33ClN2O — CID 119659923

IUPACN-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-12(2)16(19)4-5-20(3)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18;/h12-16H,4-11,19H2,1-3H3;1H
InChIKeyRBMAKDWPEUAMFR-UHFFFAOYSA-N
MW328.93 g/mol
LogP3.46
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride (PubChem CID 119659923) has the molecular formula C18H33ClN2O and a molecular weight of 328.93 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
PubChem CID119659923
Molecular FormulaC18H33ClN2O
Molecular Weight328.93 g/mol
Exact Mass328.23
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-12(2)16(19)4-5-20(3)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18;/h12-16H,4-11,19H2,1-3H3;1H
InChIKeyRBMAKDWPEUAMFR-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(1-adamantyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317354
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119660903
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119659726
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119658109
N,N-bis(2-methylpropyl)adamantane-1-carboxamide
CID 5210533
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
tert-butyl N-[(2S)-1-[adamantane-1-carbonyl(methyl)amino]propan-2-yl]carbamate
CID 110315298
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide;hydrochloride
CID 119661202

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride (CID 119659923) is N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride?
The InChIKey is RBMAKDWPEUAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.ClH/c1-12(2)16(19)4-5-20(3)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18;/h12-16H,4-11,19H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride has a molecular weight of 328.93 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119659923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).